2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide

C19H14ClN5O2S — CID 4058400

IUPAC2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN5O2S/c20-13-3-7-15(8-4-13)25-16(22)9-17(26)24-19(25)28-11-18(27)23-14-5-1-12(10-21)2-6-14/h1-9H,11,22H2,(H,23,27)
InChIKeyUJFZLTVAZQFBJT-UHFFFAOYSA-N
MW411.87 g/mol
LogP3.07
Rot. Bonds5

About 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide

2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide (PubChem CID 4058400) has the molecular formula C19H14ClN5O2S and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
PubChem CID4058400
Molecular FormulaC19H14ClN5O2S
Molecular Weight411.87 g/mol
Exact Mass411.06
IUPAC Name2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H14ClN5O2S/c20-13-3-7-15(8-4-13)25-16(22)9-17(26)24-19(25)28-11-18(27)23-14-5-1-12(10-21)2-6-14/h1-9H,11,22H2,(H,23,27)
InChIKeyUJFZLTVAZQFBJT-UHFFFAOYSA-N
XLogP3.07
TPSA113.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 3636420
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5071804
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5167969
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919
benzyl 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetate
CID 5004375
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4656952
2-[6-amino-1-(3-methylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(2-cyanophenyl)acetamide
CID 2171462
6-amino-1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidin-4-one
CID 4277996
N-(4-chloro-3-nitrophenyl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55466148
2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 16512406
2-[5-acetyl-1-(4-chlorophenyl)-4-methylimidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 162639346
6-amino-1-(4-chlorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidin-4-one
CID 3621924

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide (CID 4058400) is 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
The InChIKey is UJFZLTVAZQFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2S/c20-13-3-7-15(8-4-13)25-16(22)9-17(26)24-19(25)28-11-18(27)23-14-5-1-12(10-21)2-6-14/h1-9H,11,22H2,(H,23,27).
What are the key properties of 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide?
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide has a molecular weight of 411.87 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 4058400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).